==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 14-SEP-07 2RA1 . COMPND 2 MOLECULE: SURFACE LAYER PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR T.PAVKOV,E.M.EGELSEER,M.TESARZ,U.B.SLEYTR,W.KELLER . 412 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22818.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 316 76.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 0 0 0 0 1 1 0 1 2 0 0 1 0 0 0 1 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 2 0 2 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 32 A T 0 0 165 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -47.0 99.0 -81.0 54.0 2 33 A D > - 0 0 86 1,-0.1 4,-2.1 4,-0.0 3,-0.2 -0.460 360.0-126.1 -68.1 142.5 97.0 -83.6 56.0 3 34 A V H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.901 106.4 56.1 -58.0 -45.4 93.4 -83.7 54.9 4 35 A A H > S+ 0 0 52 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 112.4 43.9 -54.6 -43.9 91.9 -83.2 58.3 5 36 A T H > S+ 0 0 50 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 109.7 55.3 -68.9 -40.1 93.9 -80.0 58.7 6 37 A V H X S+ 0 0 19 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.932 112.9 40.6 -60.7 -47.2 93.2 -78.7 55.2 7 38 A V H X S+ 0 0 6 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.909 112.3 57.0 -71.4 -38.6 89.4 -78.9 55.7 8 39 A S H X S+ 0 0 71 -4,-2.0 4,-1.6 -5,-0.4 -1,-0.2 0.928 112.2 42.6 -50.9 -46.0 89.7 -77.6 59.2 9 40 A Q H X S+ 0 0 123 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.871 108.9 54.8 -74.2 -39.2 91.5 -74.5 57.8 10 41 A A H X S+ 0 0 5 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.881 109.5 49.9 -64.1 -36.4 89.2 -73.8 54.8 11 42 A K H X S+ 0 0 50 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.911 109.5 50.5 -66.6 -42.6 86.2 -73.8 57.1 12 43 A A H X S+ 0 0 59 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.895 109.9 51.7 -59.4 -38.6 88.0 -71.3 59.4 13 44 A Q H X S+ 0 0 56 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.850 107.6 52.2 -70.3 -34.8 88.8 -69.2 56.3 14 45 A M H X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 3,-0.3 0.938 112.6 43.7 -65.3 -48.2 85.1 -69.2 55.3 15 46 A K H >X S+ 0 0 67 -4,-2.3 4,-2.2 1,-0.2 3,-1.2 0.929 106.1 62.7 -63.5 -41.6 83.9 -68.0 58.6 16 47 A E H 3X S+ 0 0 96 -4,-2.5 4,-1.8 1,-0.3 -1,-0.2 0.855 98.2 57.7 -50.2 -39.4 86.8 -65.5 58.8 17 48 A A H 3X S+ 0 0 0 -4,-1.3 4,-0.5 -3,-0.3 -1,-0.3 0.853 107.0 46.6 -61.8 -36.4 85.2 -63.9 55.7 18 49 A Y H XX S+ 0 0 32 -3,-1.2 4,-2.6 -4,-0.9 3,-0.8 0.857 109.4 54.7 -72.5 -36.4 81.9 -63.4 57.6 19 50 A Y H 3X>S+ 0 0 65 -4,-2.2 4,-1.9 1,-0.2 5,-0.6 0.816 91.8 75.6 -63.1 -32.5 83.9 -62.0 60.6 20 51 A T H 3<5S+ 0 0 32 -4,-1.8 4,-0.2 -5,-0.2 -1,-0.2 0.840 115.0 17.7 -48.2 -40.4 85.4 -59.5 58.3 21 52 A Y H XS+ 0 0 31 -5,-0.6 4,-2.1 -4,-0.2 6,-1.2 0.844 111.0 53.1 -71.5 -34.0 83.7 -54.6 62.8 25 56 A V H X5S+ 0 0 9 -4,-2.0 4,-1.1 4,-0.2 -1,-0.2 0.929 116.4 40.8 -60.1 -43.7 80.0 -53.8 62.8 26 57 A T H <5S+ 0 0 109 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.871 121.8 38.7 -76.4 -37.8 79.7 -55.2 66.3 27 58 A E H <5S+ 0 0 138 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.891 133.7 17.1 -83.3 -38.8 82.8 -53.7 67.7 28 59 A T H <5S- 0 0 71 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.517 91.3-122.5-114.8 -8.6 82.9 -50.3 66.1 29 60 A G S <> - 0 0 76 1,-0.2 4,-1.5 2,-0.0 3,-1.1 -0.614 42.1-131.7 -63.2 131.5 85.9 -51.3 53.4 34 65 A I H 3> S+ 0 0 27 -2,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.770 105.2 61.4 -59.7 -23.7 83.9 -53.3 50.9 35 66 A K H 3> S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.800 100.0 51.6 -77.7 -29.2 87.1 -54.2 49.1 36 67 A D H <> S+ 0 0 103 -3,-1.1 4,-2.8 2,-0.2 -1,-0.2 0.874 110.4 50.5 -68.7 -38.7 88.5 -56.0 52.2 37 68 A V H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.871 110.2 49.0 -66.5 -38.0 85.2 -57.9 52.3 38 69 A Y H X S+ 0 0 87 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.950 110.5 51.2 -66.0 -45.6 85.6 -58.8 48.6 39 70 A A H X S+ 0 0 54 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.944 113.0 44.2 -53.5 -52.4 89.2 -59.9 49.2 40 71 A A H X S+ 0 0 17 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.862 110.7 57.4 -58.9 -36.8 88.1 -62.1 52.1 41 72 A Y H X S+ 0 0 28 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.924 109.5 43.7 -60.3 -45.5 85.2 -63.3 49.9 42 73 A N H X S+ 0 0 70 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.908 109.5 55.0 -71.9 -39.5 87.6 -64.5 47.2 43 74 A K H X S+ 0 0 115 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.874 108.7 50.6 -55.7 -40.5 90.1 -66.1 49.7 44 75 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.908 108.7 50.2 -68.3 -42.3 87.2 -68.2 51.0 45 76 A K H X S+ 0 0 81 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.908 114.7 44.1 -61.2 -41.3 86.1 -69.3 47.6 46 77 A Q H X S+ 0 0 133 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.848 111.5 52.8 -73.5 -34.8 89.6 -70.4 46.8 47 78 A A H X S+ 0 0 15 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.890 112.0 49.0 -63.3 -38.0 90.0 -72.0 50.2 48 79 A Y H X S+ 0 0 50 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.987 112.4 44.1 -64.8 -59.8 86.8 -73.9 49.4 49 80 A A H X S+ 0 0 59 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.928 115.2 48.7 -54.8 -49.9 87.8 -75.0 45.9 50 81 A N H X S+ 0 0 96 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.890 110.1 52.3 -56.6 -41.2 91.3 -76.1 47.0 51 82 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.884 107.7 52.8 -63.9 -38.2 89.8 -78.0 50.0 52 83 A V H X S+ 0 0 36 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.955 108.7 48.0 -61.2 -51.6 87.5 -79.8 47.7 53 84 A A H X S+ 0 0 60 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.872 111.2 51.4 -58.9 -39.2 90.3 -81.0 45.3 54 85 A V H X S+ 0 0 25 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.872 112.2 46.5 -66.4 -35.8 92.4 -82.2 48.3 55 86 A V H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 5,-0.3 0.901 106.4 57.3 -73.2 -41.5 89.4 -84.1 49.7 56 87 A N H < S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.781 115.3 40.4 -56.8 -26.4 88.6 -85.7 46.3 57 88 A K H < S+ 0 0 155 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.933 132.9 10.4 -90.4 -55.0 92.1 -87.1 46.3 58 89 A A H < S+ 0 0 58 -4,-2.3 -55,-0.2 -5,-0.1 -2,-0.2 0.113 90.4 102.7-122.9 21.4 93.0 -88.2 49.8 59 90 A G >< + 0 0 11 -4,-2.0 3,-1.8 1,-0.2 -1,-0.1 0.736 51.8 177.8 -76.8 -23.8 89.8 -88.2 51.9 60 91 A G G > + 0 0 63 -5,-0.3 3,-1.4 1,-0.3 4,-0.3 -0.311 67.5 0.1 57.3-127.0 89.2 -92.0 51.7 61 92 A A G 3 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.532 137.3 51.5 -76.9 -4.6 86.2 -93.2 53.7 62 93 A K G <> S+ 0 0 131 -3,-1.8 4,-2.5 1,-0.1 -1,-0.3 0.347 74.0 111.3-109.1 5.2 85.3 -89.7 54.8 63 94 A K H <> S+ 0 0 77 -3,-1.4 4,-2.1 1,-0.2 5,-0.2 0.903 82.0 41.1 -44.2 -56.2 85.4 -88.1 51.3 64 95 A D H > S+ 0 0 128 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.854 113.6 52.1 -68.0 -35.7 81.6 -87.5 51.2 65 96 A A H > S+ 0 0 69 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.859 110.5 50.6 -66.9 -34.7 81.3 -86.3 54.8 66 97 A Y H X S+ 0 0 37 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.914 110.0 47.9 -67.0 -45.8 84.1 -83.8 54.2 67 98 A L H X S+ 0 0 38 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.900 113.4 48.0 -66.7 -39.9 82.5 -82.4 51.0 68 99 A A H X S+ 0 0 55 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.895 112.2 49.6 -63.7 -43.2 79.1 -82.0 52.8 69 100 A D H X S+ 0 0 54 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.968 113.8 45.3 -61.4 -52.4 80.8 -80.4 55.8 70 101 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.883 114.0 49.6 -53.4 -45.0 82.7 -77.9 53.6 71 102 A Q H X S+ 0 0 85 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.890 108.5 52.7 -65.6 -42.4 79.6 -77.2 51.5 72 103 A A H X S+ 0 0 46 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.881 112.0 44.8 -60.3 -41.3 77.5 -76.6 54.6 73 104 A I H X S+ 0 0 23 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.917 114.5 49.8 -71.4 -44.0 80.0 -74.1 56.0 74 105 A Y H X>S+ 0 0 32 -4,-2.5 4,-2.7 1,-0.2 5,-1.1 0.955 110.6 48.4 -54.6 -55.4 80.3 -72.4 52.5 75 106 A E H <5S+ 0 0 50 -4,-3.1 13,-2.6 1,-0.2 -1,-0.2 0.771 116.5 44.1 -62.5 -26.6 76.5 -72.1 52.0 76 107 A T H <5S+ 0 0 41 -4,-1.2 13,-1.9 11,-0.3 -1,-0.2 0.913 126.2 24.7 -83.4 -45.0 76.1 -70.6 55.5 77 108 A Y H <5S+ 0 0 38 -4,-2.7 13,-2.4 11,-0.2 -3,-0.2 0.776 131.6 16.4 -97.8 -29.9 78.9 -68.1 55.6 78 109 A V T <5S- 0 0 0 -4,-2.7 13,-2.4 -5,-0.4 2,-0.4 0.820 112.9 -8.9-115.0 -69.6 79.8 -67.2 52.1 79 110 A F < + 0 0 90 -5,-1.1 2,-0.3 11,-0.1 -1,-0.3 -0.996 47.5 157.6-145.4 142.4 77.5 -67.9 49.2 80 111 A K - 0 0 49 -2,-0.4 2,-0.1 8,-0.2 7,-0.0 -0.924 41.7-110.9-156.5 136.2 74.2 -69.7 48.3 81 112 A A S S+ 0 0 64 -2,-0.3 7,-0.0 1,-0.2 -2,-0.0 -0.448 102.3 0.5 -61.5 134.9 71.6 -69.4 45.6 82 113 A N S S- 0 0 149 1,-0.1 -1,-0.2 -2,-0.1 6,-0.0 0.913 93.3-148.0 48.0 61.6 68.3 -68.1 47.1 83 114 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.158 9.3-150.8 -57.3 141.7 69.5 -67.8 50.7 84 115 A K > - 0 0 144 1,-0.2 3,-2.3 58,-0.0 -4,-0.0 -0.497 54.2 -51.9 -96.3-180.0 67.3 -68.3 53.7 85 116 A S T 3 S+ 0 0 127 1,-0.3 -1,-0.2 -2,-0.2 3,-0.1 -0.282 130.3 13.6 -56.7 129.8 67.9 -66.5 57.0 86 117 A G T 3 S+ 0 0 11 1,-0.3 3,-0.3 56,-0.2 2,-0.3 0.421 104.0 113.2 84.9 -0.2 71.5 -67.0 58.2 87 118 A E S < S+ 0 0 41 -3,-2.3 -1,-0.3 1,-0.2 -11,-0.3 -0.728 73.8 11.5-105.2 155.0 72.7 -68.3 54.8 88 119 A A S > S+ 0 0 1 -13,-2.6 4,-2.7 -2,-0.3 5,-0.3 0.897 75.6 171.7 54.9 44.1 75.1 -66.8 52.3 89 120 A R H > + 0 0 29 -13,-1.9 4,-2.2 -3,-0.3 55,-0.2 0.923 69.4 42.0 -59.1 -50.9 76.0 -64.3 54.9 90 121 A V H > S+ 0 0 0 -13,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.937 116.0 47.7 -61.9 -49.1 79.0 -62.6 53.1 91 122 A A H > S+ 0 0 10 -13,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.882 113.5 48.4 -61.2 -38.4 77.3 -62.5 49.7 92 123 A T H X S+ 0 0 5 -4,-2.7 4,-1.8 -14,-0.2 -1,-0.2 0.886 112.1 49.4 -69.2 -38.7 74.1 -61.1 51.1 93 124 A Y H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.3 5,-0.3 0.923 110.2 50.3 -61.6 -48.7 76.1 -58.5 53.0 94 125 A I H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.955 112.2 47.4 -55.1 -51.5 78.0 -57.5 50.0 95 126 A D H X S+ 0 0 87 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.812 115.6 44.9 -58.4 -37.3 74.8 -57.1 47.9 96 127 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.862 112.8 49.3 -77.9 -39.9 73.1 -55.1 50.6 97 128 A Y H X S+ 0 0 41 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.921 114.7 46.3 -64.2 -44.2 76.1 -52.9 51.3 98 129 A N H X S+ 0 0 53 -4,-2.9 4,-1.6 -5,-0.3 -2,-0.2 0.883 112.9 49.6 -61.8 -41.2 76.4 -52.3 47.5 99 130 A Y H X S+ 0 0 3 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.955 113.0 48.1 -62.1 -46.6 72.7 -51.6 47.3 100 131 A A H X S+ 0 0 1 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.829 110.9 48.0 -64.3 -37.3 72.9 -49.2 50.2 101 132 A T H X S+ 0 0 47 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.752 108.4 55.5 -80.4 -24.7 75.9 -47.2 48.9 102 133 A K H X S+ 0 0 84 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.915 106.2 51.9 -67.3 -44.0 74.3 -46.9 45.5 103 134 A L H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.956 110.8 47.8 -49.6 -51.4 71.3 -45.4 47.3 104 135 A D H X S+ 0 0 32 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.905 112.6 48.3 -60.1 -43.5 73.7 -42.9 49.0 105 136 A K H X S+ 0 0 97 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.871 112.5 48.1 -64.9 -40.0 75.4 -42.1 45.7 106 137 A M H X S+ 0 0 7 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.899 111.2 51.4 -68.2 -40.7 72.0 -41.6 43.9 107 138 A R H X S+ 0 0 43 -4,-2.9 4,-2.9 -5,-0.3 -2,-0.2 0.964 111.6 46.5 -59.1 -51.4 70.9 -39.4 46.8 108 139 A Q H X S+ 0 0 104 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.824 112.1 51.2 -61.5 -31.4 74.1 -37.3 46.5 109 140 A E H X S+ 0 0 67 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.860 110.2 49.6 -74.2 -33.7 73.6 -37.1 42.8 110 141 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 5,-0.2 0.930 108.3 52.6 -67.4 -46.5 70.0 -35.9 43.3 111 142 A K H X S+ 0 0 99 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.907 107.1 53.2 -58.1 -40.1 71.1 -33.3 45.8 112 143 A A H X S+ 0 0 55 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.882 106.8 53.1 -62.3 -36.9 73.6 -32.0 43.1 113 144 A A H <>S+ 0 0 3 -4,-1.5 5,-3.2 2,-0.2 -1,-0.2 0.823 112.5 42.6 -69.0 -31.6 70.7 -31.8 40.6 114 145 A V H ><5S+ 0 0 23 -4,-1.8 3,-0.9 3,-0.2 -2,-0.2 0.825 112.9 53.1 -83.3 -29.8 68.7 -29.6 43.0 115 146 A D H 3<5S+ 0 0 100 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.896 114.3 42.3 -68.1 -37.0 71.7 -27.6 44.0 116 147 A A T 3<5S- 0 0 75 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.296 111.4-125.9 -88.2 9.4 72.3 -27.0 40.3 117 148 A K T < 5 + 0 0 130 -3,-0.9 2,-0.9 1,-0.2 -3,-0.2 0.857 53.5 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110.3 49.3 -65.0 -49.7 62.4 -47.6 42.1 132 163 A E H X5S+ 0 0 13 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.886 112.0 49.3 -50.9 -47.1 65.5 -48.6 44.1 133 164 A L H <5S+ 0 0 11 -4,-2.3 4,-0.3 1,-0.1 -1,-0.2 0.829 119.8 35.9 -67.7 -33.6 63.7 -47.8 47.3 134 165 A K H <5S+ 0 0 178 -4,-1.7 -2,-0.2 -3,-0.2 -3,-0.2 0.926 126.1 30.3 -87.4 -48.7 60.5 -49.7 46.4 135 166 A T H <5S+ 0 0 68 -4,-3.1 3,-0.2 -5,-0.2 -3,-0.2 0.766 123.5 38.0 -87.4 -26.6 61.7 -52.8 44.5 136 167 A R S ><> S+ 0 0 25 1,-0.3 3,-1.3 -4,-0.3 4,-0.8 0.727 71.3 77.7 -67.5 -18.3 65.0 -52.9 49.6 138 169 A V H >> S+ 0 0 61 1,-0.3 4,-1.3 -3,-0.2 3,-0.5 0.807 78.8 72.1 -56.9 -30.1 64.3 -56.7 50.0 139 170 A I H <4 S+ 0 0 16 -3,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.885 94.9 53.3 -49.2 -41.9 68.0 -57.1 49.4 140 171 A L H X4 S+ 0 0 1 -3,-1.3 3,-1.5 -4,-0.4 -1,-0.3 0.829 98.9 62.0 -64.1 -36.0 68.4 -55.6 52.9 141 172 A D H << S+ 0 0 88 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.853 94.7 62.3 -60.3 -35.1 66.0 -58.2 54.4 142 173 A R T 3< S+ 0 0 112 -4,-1.3 2,-0.3 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0 0 66 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.930 115.8 45.1 -69.8 -46.4 54.9 -34.2 35.0 176 207 A K H X S+ 0 0 38 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.843 108.2 57.9 -70.5 -32.7 51.4 -32.8 35.1 177 208 A A H X S+ 0 0 4 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 0.952 111.6 40.5 -61.3 -48.0 52.3 -29.6 33.4 178 209 A R H X S+ 0 0 111 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.810 112.1 55.6 -74.2 -28.5 53.7 -31.3 30.4 179 210 A E H X S+ 0 0 52 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.893 109.6 49.7 -64.8 -38.5 50.8 -33.8 30.4 180 211 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 5,-0.3 0.970 111.7 45.5 -61.2 -57.8 48.6 -30.7 30.3 181 212 A Q H X S+ 0 0 50 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.949 113.6 50.0 -50.1 -52.1 50.5 -29.1 27.4 182 213 A D H X S+ 0 0 81 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.856 107.9 55.0 -60.8 -33.4 50.5 -32.4 25.5 183 214 A A H <>S+ 0 0 5 -4,-1.9 5,-2.2 2,-0.2 -1,-0.2 0.931 111.9 40.9 -66.8 -46.1 46.8 -32.9 26.1 184 215 A V H ><5S+ 0 0 28 -4,-2.2 3,-2.6 1,-0.2 -2,-0.2 0.945 113.1 53.6 -67.5 -45.0 45.8 -29.5 24.6 185 216 A K 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195 226 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.906 114.4 49.8 -63.7 -40.0 46.3 -32.5 34.5 196 227 A L H X S+ 0 0 7 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.895 103.5 57.8 -68.0 -42.3 46.0 -28.8 35.2 197 228 A D H X S+ 0 0 68 -4,-3.2 4,-1.6 2,-0.2 -1,-0.2 0.903 107.6 49.2 -52.8 -41.9 43.8 -29.4 38.3 198 229 A Q H X S+ 0 0 66 -4,-1.5 4,-2.0 2,-0.2 3,-0.4 0.959 107.9 53.1 -65.1 -48.3 46.7 -31.5 39.7 199 230 A V H >X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 3,-0.6 0.951 111.4 46.6 -43.7 -57.9 49.2 -28.8 38.9 200 231 A N H 3< S+ 0 0 88 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.767 108.9 56.6 -59.7 -30.3 47.1 -26.3 40.8 201 232 A Q H 3< S+ 0 0 102 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.890 122.0 22.0 -68.1 -40.3 46.7 -28.7 43.7 202 233 A Y H X< S+ 0 0 55 -4,-2.0 3,-2.4 -3,-0.6 4,-0.4 0.588 93.4 90.1-108.5 -14.8 50.4 -29.1 44.3 203 234 A V G >< S+ 0 0 27 -4,-2.4 3,-0.8 1,-0.3 -3,-0.1 0.778 83.5 62.2 -66.8 -23.0 52.3 -26.1 42.8 204 235 A S G 3 S+ 0 0 96 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.425 104.4 52.5 -77.2 1.9 52.1 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